3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide

C11H25N5O4 — CID 59557670

IUPAC3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide
SMILESCN(CCOCC/C(N)=N/O)CCOCC/C(N)=N\O
InChIInChI=1S/C11H25N5O4/c1-16(4-8-19-6-2-10(12)14-17)5-9-20-7-3-11(13)15-18/h17-18H,2-9H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyDFSCILCIMYVELK-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.78
Rot. Bonds12

About 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide

3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide (PubChem CID 59557670) has the molecular formula C11H25N5O4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide
PubChem CID59557670
Molecular FormulaC11H25N5O4
Molecular Weight291.35 g/mol
Exact Mass291.19
IUPAC Name3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide
SMILESCN(CCOCC/C(N)=N/O)CCOCC/C(N)=N\O
InChIInChI=1S/C11H25N5O4/c1-16(4-8-19-6-2-10(12)14-17)5-9-20-7-3-11(13)15-18/h17-18H,2-9H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyDFSCILCIMYVELK-UHFFFAOYSA-N
XLogP-0.78
TPSA138.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide (CID 59557670) is 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide is CN(CCOCC/C(N)=N/O)CCOCC/C(N)=N\O.
What is the InChIKey of 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide?
The InChIKey is DFSCILCIMYVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O4/c1-16(4-8-19-6-2-10(12)14-17)5-9-20-7-3-11(13)15-18/h17-18H,2-9H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide?
3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide has a molecular weight of 291.35 g/mol, XLogP of -0.78, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl-methylamino]ethoxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 59557670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).